(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C21H15ClN2O5/c1-2-11-7-17-15(9-16(11)22)12(8-18(25)29-17)10-28-21(27)19-13-5-3-4-6-14(13)20(26)24-23-19/h3-9H,2,10H2,1H3,(H,24,26)